This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

• r-TiO2_H2O_mol_Ti_OH_1.xyz.zip: The MD trajectory for the rutile TiO2-H2O interface showing the molecular adsorption mode of water with one proton removed from H2O adsorbed at the surface Ti site 1.
• r-TiO2_H2O_mol_Ti_OH_2.xyz.zip: The MD trajectory for the rutile TiO2-H2O interface showing the molecular adsorption mode of water with one proton removed from H2O adsorbed at the surface Ti site 2.
• r-TiO2_H2O_mol_O_H_1.xyz.zip: The MD trajectory for the rutile TiO2-H2O interface showing the molecular adsorption mode of water with one extra proton attached to the surface O site 1.
• r-TiO2_H2O_mol_O_H_2.xyz.zip: The MD trajectory for the rutile TiO2-H2O interface showing the molecular adsorption mode of water with one extra proton attached to the surface O site 2.
• GaP_H2O_mol_Ga_OH_1.xyz.zip: The MD trajectory for the GaP-H2O interface showing the molecular adsorption mode of water with one proton removed from H2O adsorbed at the surface Ga site 1.
• GaP_H2O_mol_Ga_OH_2.xyz.zip: The MD trajectory for the GaP-H2O interface showing the molecular adsorption mode of water with one proton removed from H2O adsorbed at the surface Ga site 2.
• GaP_H2O_mol_P_H_1.xyz.zip: The MD trajectory for the GaP-H2O interface showing the molecular adsorption mode of water with one extra proton attached to the surface P site 1.
• GaP_H2O_mol_P_H_2.xyz.zip: The MD trajectory for the GaP-H2O interface showing the molecular adsorption mode of water with one extra proton attached to the surface P site 2.
• GaP_H2O_dis_Ga_H2O_1.xyz.zip: The MD trajectory for the GaP-H2O interface showing the dissociative adsorption mode of water with one extra proton bound to OH- adsorbed at the surface Ga site 1.
• GaP_H2O_dis_Ga_H2O_2.xyz.zip: The MD trajectory for the GaP-H2O interface showing the dissociative adsorption mode of water with one extra proton bound to OH- adsorbed at the surface Ga site 2.
• GaP_H2O_dis_P_1.xyz.zip: The MD trajectory for the GaP-H2O interface showing the dissociative adsorption mode of water with one proton removed from the surface P site 1.
• GaP_H2O_dis_P_2.xyz.zip: The MD trajectory for the GaP-H2O interface showing the dissociative adsorption mode of water with one proton removed from the surface P site 2.
• GaN_H2O_dis_Ga_H2O_1.xyz.zip: The MD trajectory for the GaN-H2O interface showing the dissociative adsorption mode of water with one extra proton bound to OH- adsorbed at the surface Ga site 1.
• GaN_H2O_dis_Ga_H2O_2.xyz.zip: The MD trajectory for the GaN-H2O interface showing the dissociative adsorption mode of water with one extra proton bound to OH- adsorbed at the surface Ga site 2.
• GaN_H2O_dis_N_1.xyz.zip: The MD trajectory for the GaN-H2O interface showing the dissociative adsorption mode of water with one proton removed from the surface N site 1.
• GaN_H2O_dis_N_2.xyz.zip: The MD trajectory for the GaN-H2O interface showing the dissociative adsorption mode of water with one proton removed from the surface N site 2.
• GaAs_H2O_mol_Ga_OH_1.xyz.zip: The MD trajectory for the GaAs-H2O interface showing the molecular adsorption mode of water with one proton removed from H2O adsorbed at the surface Ga site 1.
• GaAs_H2O_mol_Ga_OH_2.xyz.zip: The MD trajectory for the GaAs-H2O interface showing the molecular adsorption mode of water with one proton removed from H2O adsorbed at the surface Ga site 2.
• GaAs_H2O_mol_As_H_1.xyz.zip: The MD trajectory for the GaAs-H2O interface showing the molecular adsorption mode of water with one extra proton attached to the surface As site 1.
• GaAs_H2O_mol_As_H_2.xyz.zip: The MD trajectory for the GaAs-H2O interface showing the molecular adsorption mode of water with one extra proton attached to the surface As site 2.
• GaAs_H2O_dis_Ga_H2O_1.xyz.zip: The MD trajectory for the GaAs-H2O interface showing the dissociative adsorption mode of water with one extra proton bound to OH- adsorbed at the surface Ga site 1.
• GaAs_H2O_dis_Ga_H2O_2.xyz.zip: The MD trajectory for the GaAs-H2O interface showing the dissociative adsorption mode of water with one extra proton bound to OH- adsorbed at the surface Ga site 2.
• GaAs_H2O_dis_As_1.xyz.zip: The MD trajectory for the GaAs-H2O interface showing the dissociative adsorption mode of water with one proton removed from the surface As site 1.
• GaAs_H2O_dis_As_2.xyz.zip: The MD trajectory for the GaAs-H2O interface showing the dissociative adsorption mode of water with one proton removed from the surface As site 2.
• CdS_H2O_mol_Cd_OH_1.xyz.zip: The MD trajectory for the CdS-H2O interface showing the molecular adsorption mode of water with one proton removed from H2O adsorbed at the surface Cd site 1.
• CdS_H2O_mol_Cd_OH_2.xyz.zip: The MD trajectory for the CdS-H2O interface showing the molecular adsorption mode of water with one proton removed from H2O adsorbed at the surface Cd site 2.
• CdS_H2O_mol_S_H_1.xyz.zip: The MD trajectory for the CdS-H2O interface showing the molecular adsorption mode of water with one extra proton attached to the surface S site 1.
• CdS_H2O_mol_S_H_2.xyz.zip: The MD trajectory for the CdS-H2O interface showing the molecular adsorption mode of water with one extra proton attached to the surface S site 2.
• a-TiO2_H2O_mol_Ti_OH_1.xyz.zip: The MD trajectory for the anatase TiO2-H2O interface showing the molecular adsorption mode of water with one proton removed from H2O adsorbed at the surface Ti site 1.
• a-TiO2_H2O_mol_Ti_OH_2.xyz.zip: The MD trajectory for the anatase TiO2-H2O interface showing the molecular adsorption mode of water with one proton removed from H2O adsorbed at the surface Ti site 2.
• a-TiO2_H2O_mol_O_H_1.xyz.zip: The MD trajectory for the anatase TiO2-H2O interface showing the molecular adsorption mode of water with one extra proton attached to the surface O site 1.
• a-TiO2_H2O_mol_O_H_2.xyz.zip: The MD trajectory for the anatase TiO2-H2O interface showing the molecular adsorption mode of water with one extra proton attached to the surface O site 2.
• a-TiO2_H2O_dis_Ti_H2O_1.xyz.zip: The MD trajectory for the anatase TiO2-H2O interface showing the dissociative adsorption mode of water with one extra proton bound to OH- adsorbed at the surface Ti site 1.
• a-TiO2_H2O_dis_Ti_H2O_2.xyz.zip: The MD trajectory for the anatase TiO2-H2O interface showing the dissociative adsorption mode of water with one extra proton bound to OH- adsorbed at the surface Ti site 2.
• a-TiO2_H2O_dis_O_1.xyz.zip: The MD trajectory for the anatase TiO2-H2O interface showing the dissociative adsorption mode of water with one proton removed from the surface O site 1.
• a-TiO2_H2O_dis_O_2.xyz.zip: The MD trajectory for the anatase TiO2-H2O interface showing the dissociative adsorption mode of water with one proton removed from the surface O site 2.
• README.txt: README file containing a description of all files in this record